3-[[1-[2-[(4-dimethylaminophenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-[(4-dimethylaminophenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[[4-(dimethylamino)benzoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[[4-(dimethylamino)benzoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[[4-(dimethylamino)benzoyl]amino]propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H28N4O6/c1-13(22-19(29)14-6-8-16(9-7-14)24(2)3)21(31)25-10-4-5-17(25)20(30)23-15(12-26)11-18(27)28/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,22,29)(H,23,30)(H,27,28)